ChemDB: Chemical Search
Download
Chemical ID: 7053173
Chemical ID:
7053173
Name [?]:
N-(3-chloro-4-methyl-phenyl)-3-hydroxyimino-4,7,7-trimethyl-norbornane-1-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)C23CCC(C2(C)C)(C(=NO)C3)C
InChi [?]:
InChI=1/C18H23ClN2O2/c1-11-5-6-12(9-13(11)19)20-15(22)18-8-7-17(4,16(18,2)3)14(10-18)21-23/h5-6,9,23H,7-8,10H2,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,17,18,23,3,4,14,13,6,22,2,5,7,19,10,16,15,12,8,9,20,11,21/E:(2,3)/rA:23cCCCCCCCClNCOCCCCCCCCNOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s12s15;s16;s16;s15;w19;s20;s12s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23ClN2O2 |
All Atoms: | 46 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1381 |
Area: | 514.15 |
Solvation: | -2.71561 |
Coulombic: | -34.1013 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.84 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 5.1 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|